4AHZ
Flo5A showing a heptanuclear gadolinium cluster on its surface after 60 min of soaking
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-03-02 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.090, 63.160, 105.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.170 - 1.900 |
R-factor | 0.17714 |
Rwork | 0.177 |
R-free | 0.20792 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2xjp |
RMSD bond length | 0.011 |
RMSD bond angle | 1.494 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.270 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.040 | 0.240 |
Number of reflections | 24900 | |
<I/σ(I)> | 18.8 | 5.2 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 200 MM BISTRIS PROPANE, 500 MM NACL, 3 MM GDAC3, 20% PEG 4000, pH 7.5 |